N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

C22H29N3O6S — CID 41139101

IUPACN-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H29N3O6S/c1-29-20-7-6-17(15-21(20)32(27,28)25-10-13-30-14-11-25)22(26)23-16-18(19-5-4-12-31-19)24-8-2-3-9-24/h4-7,12,15,18H,2-3,8-11,13-14,16H2,1H3,(H,23,26)/t18-/m0/s1
InChIKeyDDKYJSJMSXXQNT-SFHVURJKSA-N
MW463.56 g/mol
LogP1.88
Rot. Bonds8

About N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 41139101) has the molecular formula C22H29N3O6S and a molecular weight of 463.56 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
PubChem CID41139101
Molecular FormulaC22H29N3O6S
Molecular Weight463.56 g/mol
Exact Mass463.18
IUPAC NameN-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H29N3O6S/c1-29-20-7-6-17(15-21(20)32(27,28)25-10-13-30-14-11-25)22(26)23-16-18(19-5-4-12-31-19)24-8-2-3-9-24/h4-7,12,15,18H,2-3,8-11,13-14,16H2,1H3,(H,23,26)/t18-/m0/s1
InChIKeyDDKYJSJMSXXQNT-SFHVURJKSA-N
XLogP1.88
TPSA101.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide with MolForge

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Related Compounds

4-chloro-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 40844556
3-[benzyl(methyl)sulfamoyl]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 40984734
3,4-diethoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4807732
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 26010349
4-methoxy-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 18892275
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-methoxybenzamide
CID 112503347
3,4-dichloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7972696
4-methoxy-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 18892278
N-[2-(4-chlorophenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 2161742
4-methoxy-N-[2-(methylamino)propyl]-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride
CID 120831442
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-piperidin-1-ylsulfonylbenzamide
CID 55330211
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methylsulfonylbenzamide
CID 4883203

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (CID 41139101) is N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is COc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is DDKYJSJMSXXQNT-SFHVURJKSA-N. The full InChI is InChI=1S/C22H29N3O6S/c1-29-20-7-6-17(15-21(20)32(27,28)25-10-13-30-14-11-25)22(26)23-16-18(19-5-4-12-31-19)24-8-2-3-9-24/h4-7,12,15,18H,2-3,8-11,13-14,16H2,1H3,(H,23,26)/t18-/m0/s1.
What are the key properties of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 463.56 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 41139101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).